Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 6/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 2/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6385823 | 1.00 | CTSC (0.47) | CTSCKCNH2CTSBCTSSCTSK | |
| Acetic Acid SCHEMBL6384093 | 0.94 | CTSC (0.44) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6750593 | 0.84 | GRM4 (0.39) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6750589 | 0.84 | GRM4 (0.39) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6838568 | 0.84 | GRM4 (0.39) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6699818 | 0.79 | CTSC (0.48) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6839101 | 0.77 | PSEN1 (0.48) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL172091 | 0.74 | CTSC (0.42) | CTSCKCNH2CCR1NR1I2TSHR | |
| SCHEMBL6753560 | 0.74 | CTSC (0.55) | CTSCKCNH2CTSBCTSSCTSK | |
| SCHEMBL6754236 | 0.74 | CTSC (0.55) | CTSCKCNH2CTSBCTSSCTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | claimed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | claimed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | CTSC 66/4885KCNH2 1680/4885CTSB 24/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.